4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid
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![4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/09d7c13fe785441fa904cbd8b56fb56f.png "4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid")
4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid
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CAS No:
51295-50-2
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Formula:
C21H43N5O16S
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Chemical Name:
4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid
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Synonyms:
BUTIROSIN A SULFATE;51295-50-2;BUTIROSIN B SULFATE;NSC-175397;Butyrosin B, sulfate (1:2);DTXSID40965588;NSC175397;NSC175398;NSC-175398;4-Amino-N-{5-amino-4-[(2,6-diamino-2,6-dideoxyhexopyranosyl)oxy]-2-hydroxy-3-(pentofuranosyloxy)cyclohexyl}-2-hydroxybutanimidic acid--sulfuric acid (1/1)
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CAS No:
4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid Basic Attributes
653.7 g/mol
653.24255147 g/mol
175398|175397
Computed Properties
Molecular Weight:653.7
Hydrogen Bond Donor Count:14
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:10
Exact Mass:653.24255147
Monoisotopic Mass:653.24255147
Topological Polar Surface Area:395
Heavy Atom Count:43
Complexity:853
Undefined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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